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CHEBI:76358 - 3-tert-butyl-4-hydroxyanisole

ChEBI IDCHEBI:76358
ChEBI Name3-tert-butyl-4-hydroxyanisole
Stars
ASCII Name3-tert-butyl-4-hydroxyanisole
DefinitionAn aromatic ether that is 4-methoxyphenol in which one of the hydrogens ortho- to the phenolic hydroxy group is replaced by a tert-butyl group.
Last Modified10 March 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC11H16O2
Net Charge0
Average Mass180.247
Monoisotopic Mass180.11503
SMILESCOc1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3
InChIKeyMRBKEAMVRSLQPH-UHFFFAOYSA-N
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
3-tert-butyl-4-hydroxyanisole (CHEBI:76358) has role antioxidant (CHEBI:22586)
3-tert-butyl-4-hydroxyanisole (CHEBI:76358) has role human xenobiotic metabolite (CHEBI:76967)
3-tert-butyl-4-hydroxyanisole (CHEBI:76358) is a aromatic ether (CHEBI:35618)
3-tert-butyl-4-hydroxyanisole (CHEBI:76358) is a phenols (CHEBI:33853)
Incoming Relation(s)
butylated hydroxyanisole (CHEBI:76359) has part 3-tert-butyl-4-hydroxyanisole (CHEBI:76358)
IUPAC Name 
2-tert-butyl-4-methoxyphenol
Synonyms  Source
4-methoxy-2-tert-butylphenolChemIDplus
3-BHAChemIDplus
2-(1,1-dimethylethyl)-4-methoxyphenolChemIDplus
3-(1,1-dimethylethyl)-4-hydroxyanisoleNIST Chemistry WebBook
4-methoxy-6-tert-butylphenolNIST Chemistry WebBook
3-tert-butyl-p-hydroxyanisoleNIST Chemistry WebBook
Manual XrefsDatabases
HMDB0031848HMDB
Registry NumbersSources
Reaxys:1867499Reaxys
CAS:121-00-6ChemIDplus
CAS:121-00-6NIST Chemistry WebBook
CAS:921-00-6ChemIDplus
Citations